N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide

C11H13F3N2O2 — CID 134340734

IUPACN-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide
SMILESCCC(=O)NCc1c(C(F)(F)F)cc(C)[nH]c1=O
InChIInChI=1S/C11H13F3N2O2/c1-3-9(17)15-5-7-8(11(12,13)14)4-6(2)16-10(7)18/h4H,3,5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySGUPIMPICRNNAW-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.73
Rot. Bonds3

About N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide

N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide (PubChem CID 134340734) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide
PubChem CID134340734
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide
SMILESCCC(=O)NCc1c(C(F)(F)F)cc(C)[nH]c1=O
InChIInChI=1S/C11H13F3N2O2/c1-3-9(17)15-5-7-8(11(12,13)14)4-6(2)16-10(7)18/h4H,3,5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySGUPIMPICRNNAW-UHFFFAOYSA-N
XLogP1.73
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide?
The IUPAC name of N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide (CID 134340734) is N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide.
What is the SMILES notation for N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide?
The canonical SMILES for N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide is CCC(=O)NCc1c(C(F)(F)F)cc(C)[nH]c1=O.
What is the InChIKey of N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide?
The InChIKey is SGUPIMPICRNNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-3-9(17)15-5-7-8(11(12,13)14)4-6(2)16-10(7)18/h4H,3,5H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide?
N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide has a molecular weight of 262.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]propanamide is sourced from PubChem (CID 134340734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).